N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide

C16H20N4O3S — CID 71890317

IUPACN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H20N4O3S/c1-9(2)20-11(4)16(10(3)18-20)19-24(22,23)13-5-6-14-12(7-13)8-15(21)17-14/h5-7,9,19H,8H2,1-4H3,(H,17,21)
InChIKeyRBZXNVOOHIXCBT-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.38
Rot. Bonds4

About N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide

N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 71890317) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID71890317
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C16H20N4O3S/c1-9(2)20-11(4)16(10(3)18-20)19-24(22,23)13-5-6-14-12(7-13)8-15(21)17-14/h5-7,9,19H,8H2,1-4H3,(H,17,21)
InChIKeyRBZXNVOOHIXCBT-UHFFFAOYSA-N
XLogP2.38
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 18197715
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110756980
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 55902007
N-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113038545
N'-(4,6-dimethylpyrimidin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonohydrazide
CID 9055811
N-(3,4-dichlorophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9055840
2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide
CID 61042421
2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 112990517
N-(4-fluoro-2-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 7667496
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 44825291
2-oxo-N-pyridin-2-yl-1,3-dihydroindole-5-sulfonamide
CID 110756782
N-(3-bromophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 8015526

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 71890317) is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide is Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is RBZXNVOOHIXCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-9(2)20-11(4)16(10(3)18-20)19-24(22,23)13-5-6-14-12(7-13)8-15(21)17-14/h5-7,9,19H,8H2,1-4H3,(H,17,21).
What are the key properties of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 348.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 71890317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).